N-[4-[[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-(phenylthio)nicotinoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c1-20(31)28-22-12-10-21(11-13-22)19-29-15-6-16-30(18-17-29)26(32)24-9-5-14-27-25(24)33-23-7-3-2-4-8-23/h2-5,7-14H,6,15-19H2,1H3,(H,28,31)